USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 THR OG1 : rot 180:sc= 0.00524 USER MOD Set 1.2: A 41 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.4!) USER MOD Single : A 1 ALA N :NH3+ 172:sc= -0.178 (180deg=-0.256) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.8!) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc=4.69e-05 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -2.13 K(o=-2.1,f=-11!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.202 (180deg=-0.558) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= 0.321 (180deg=0.223) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.15) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0693 (180deg=-0.427) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : A 50 ASN : amide:sc= -0.0446 K(o=-0.045,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.355 -0.535 0.428 1.00 65.42 N ATOM 2 CA ALA A 1 2.097 -0.431 -0.823 1.00 12.32 C ATOM 3 C ALA A 1 2.050 -1.742 -1.600 1.00 43.20 C ATOM 4 O ALA A 1 3.005 -2.102 -2.289 1.00 40.41 O ATOM 5 CB ALA A 1 3.538 -0.028 -0.550 1.00 4.33 C ATOM 0 H1 ALA A 1 1.514 0.320 0.998 1.00 65.42 H new ATOM 0 H2 ALA A 1 0.340 -0.630 0.223 1.00 65.42 H new ATOM 0 H3 ALA A 1 1.681 -1.369 0.957 1.00 65.42 H new ATOM 0 HA ALA A 1 1.626 0.339 -1.433 1.00 12.32 H new ATOM 0 HB1 ALA A 1 4.080 0.046 -1.493 1.00 4.33 H new ATOM 0 HB2 ALA A 1 3.556 0.937 -0.044 1.00 4.33 H new ATOM 0 HB3 ALA A 1 4.012 -0.778 0.083 1.00 4.33 H new ATOM 11 N LYS A 2 0.934 -2.453 -1.484 1.00 61.45 N ATOM 12 CA LYS A 2 0.762 -3.725 -2.176 1.00 72.15 C ATOM 13 C LYS A 2 -0.482 -3.700 -3.059 1.00 32.32 C ATOM 14 O LYS A 2 -1.603 -3.575 -2.565 1.00 30.44 O ATOM 15 CB LYS A 2 0.660 -4.870 -1.166 1.00 4.34 C ATOM 16 CG LYS A 2 1.874 -4.991 -0.260 1.00 13.51 C ATOM 17 CD LYS A 2 1.478 -5.385 1.153 1.00 13.00 C ATOM 18 CE LYS A 2 1.687 -4.239 2.131 1.00 24.21 C ATOM 19 NZ LYS A 2 0.702 -4.275 3.247 1.00 51.11 N ATOM 0 H LYS A 2 0.135 -2.170 -0.917 1.00 61.45 H new ATOM 0 HA LYS A 2 1.634 -3.885 -2.810 1.00 72.15 H new ATOM 0 HB2 LYS A 2 -0.228 -4.724 -0.552 1.00 4.34 H new ATOM 0 HB3 LYS A 2 0.524 -5.808 -1.705 1.00 4.34 H new ATOM 0 HG2 LYS A 2 2.560 -5.734 -0.667 1.00 13.51 H new ATOM 0 HG3 LYS A 2 2.409 -4.041 -0.238 1.00 13.51 H new ATOM 0 HD2 LYS A 2 0.432 -5.690 1.167 1.00 13.00 H new ATOM 0 HD3 LYS A 2 2.066 -6.247 1.470 1.00 13.00 H new ATOM 0 HE2 LYS A 2 2.697 -4.288 2.537 1.00 24.21 H new ATOM 0 HE3 LYS A 2 1.602 -3.290 1.602 1.00 24.21 H new ATOM 0 HZ1 LYS A 2 0.878 -3.478 3.891 1.00 51.11 H new ATOM 0 HZ2 LYS A 2 -0.261 -4.203 2.862 1.00 51.11 H new ATOM 0 HZ3 LYS A 2 0.800 -5.170 3.768 1.00 51.11 H new ATOM 33 N TYR A 3 -0.277 -3.821 -4.366 1.00 34.44 N ATOM 34 CA TYR A 3 -1.383 -3.812 -5.317 1.00 3.15 C ATOM 35 C TYR A 3 -1.565 -5.186 -5.954 1.00 31.14 C ATOM 36 O TYR A 3 -0.602 -5.810 -6.400 1.00 60.31 O ATOM 37 CB TYR A 3 -1.140 -2.762 -6.402 1.00 62.33 C ATOM 38 CG TYR A 3 -1.241 -1.339 -5.902 1.00 51.01 C ATOM 39 CD1 TYR A 3 -2.478 -0.742 -5.690 1.00 63.40 C ATOM 40 CD2 TYR A 3 -0.099 -0.591 -5.641 1.00 35.14 C ATOM 41 CE1 TYR A 3 -2.575 0.558 -5.234 1.00 23.11 C ATOM 42 CE2 TYR A 3 -0.187 0.709 -5.183 1.00 1.43 C ATOM 43 CZ TYR A 3 -1.427 1.280 -4.981 1.00 64.45 C ATOM 44 OH TYR A 3 -1.519 2.575 -4.526 1.00 20.44 O ATOM 0 H TYR A 3 0.644 -3.926 -4.791 1.00 34.44 H new ATOM 0 HA TYR A 3 -2.294 -3.560 -4.774 1.00 3.15 H new ATOM 0 HB2 TYR A 3 -0.150 -2.918 -6.831 1.00 62.33 H new ATOM 0 HB3 TYR A 3 -1.862 -2.908 -7.205 1.00 62.33 H new ATOM 0 HD1 TYR A 3 -3.379 -1.304 -5.885 1.00 63.40 H new ATOM 0 HD2 TYR A 3 0.873 -1.034 -5.799 1.00 35.14 H new ATOM 0 HE1 TYR A 3 -3.544 1.007 -5.076 1.00 23.11 H new ATOM 0 HE2 TYR A 3 0.710 1.276 -4.984 1.00 1.43 H new ATOM 0 HH TYR A 3 -0.619 2.941 -4.397 1.00 20.44 H new ATOM 54 N THR A 4 -2.810 -5.653 -5.993 1.00 5.51 N ATOM 55 CA THR A 4 -3.121 -6.952 -6.574 1.00 65.32 C ATOM 56 C THR A 4 -3.642 -6.807 -7.999 1.00 40.32 C ATOM 57 O THR A 4 -4.552 -6.021 -8.260 1.00 73.53 O ATOM 58 CB THR A 4 -4.165 -7.709 -5.732 1.00 52.21 C ATOM 59 OG1 THR A 4 -4.442 -8.983 -6.324 1.00 51.11 O ATOM 60 CG2 THR A 4 -5.453 -6.906 -5.618 1.00 65.34 C ATOM 0 H THR A 4 -3.619 -5.150 -5.629 1.00 5.51 H new ATOM 0 HA THR A 4 -2.192 -7.523 -6.586 1.00 65.32 H new ATOM 0 HB THR A 4 -3.756 -7.855 -4.732 1.00 52.21 H new ATOM 0 HG1 THR A 4 -5.105 -9.458 -5.782 1.00 51.11 H new ATOM 0 HG21 THR A 4 -6.176 -7.460 -5.019 1.00 65.34 H new ATOM 0 HG22 THR A 4 -5.244 -5.949 -5.140 1.00 65.34 H new ATOM 0 HG23 THR A 4 -5.863 -6.733 -6.613 1.00 65.34 H new ATOM 68 N GLY A 5 -3.059 -7.570 -8.919 1.00 0.11 N ATOM 69 CA GLY A 5 -3.479 -7.511 -10.307 1.00 0.23 C ATOM 70 C GLY A 5 -3.532 -8.880 -10.955 1.00 51.22 C ATOM 71 O GLY A 5 -2.926 -9.832 -10.464 1.00 32.33 O ATOM 0 H GLY A 5 -2.303 -8.228 -8.728 1.00 0.11 H new ATOM 0 HA2 GLY A 5 -4.463 -7.046 -10.366 1.00 0.23 H new ATOM 0 HA3 GLY A 5 -2.792 -6.875 -10.865 1.00 0.23 H new ATOM 75 N LYS A 6 -4.260 -8.981 -12.062 1.00 14.41 N ATOM 76 CA LYS A 6 -4.392 -10.243 -12.780 1.00 21.04 C ATOM 77 C LYS A 6 -3.782 -10.142 -14.174 1.00 22.30 C ATOM 78 O LYS A 6 -3.865 -9.101 -14.826 1.00 13.35 O ATOM 79 CB LYS A 6 -5.865 -10.643 -12.884 1.00 33.13 C ATOM 80 CG LYS A 6 -6.565 -10.743 -11.539 1.00 61.42 C ATOM 81 CD LYS A 6 -7.855 -9.941 -11.521 1.00 34.51 C ATOM 82 CE LYS A 6 -8.956 -10.674 -10.768 1.00 41.35 C ATOM 83 NZ LYS A 6 -10.079 -9.765 -10.406 1.00 72.54 N ATOM 0 H LYS A 6 -4.768 -8.203 -12.482 1.00 14.41 H new ATOM 0 HA LYS A 6 -3.853 -11.008 -12.221 1.00 21.04 H new ATOM 0 HB2 LYS A 6 -6.388 -9.914 -13.503 1.00 33.13 H new ATOM 0 HB3 LYS A 6 -5.937 -11.604 -13.394 1.00 33.13 H new ATOM 0 HG2 LYS A 6 -6.782 -11.788 -11.318 1.00 61.42 H new ATOM 0 HG3 LYS A 6 -5.900 -10.382 -10.754 1.00 61.42 H new ATOM 0 HD2 LYS A 6 -7.676 -8.972 -11.054 1.00 34.51 H new ATOM 0 HD3 LYS A 6 -8.179 -9.747 -12.544 1.00 34.51 H new ATOM 0 HE2 LYS A 6 -9.334 -11.492 -11.382 1.00 41.35 H new ATOM 0 HE3 LYS A 6 -8.543 -11.119 -9.863 1.00 41.35 H new ATOM 0 HZ1 LYS A 6 -10.809 -10.301 -9.895 1.00 72.54 H new ATOM 0 HZ2 LYS A 6 -9.724 -8.999 -9.799 1.00 72.54 H new ATOM 0 HZ3 LYS A 6 -10.490 -9.359 -11.271 1.00 72.54 H new ATOM 97 N CYS A 7 -3.170 -11.231 -14.627 1.00 64.11 N ATOM 98 CA CYS A 7 -2.546 -11.266 -15.944 1.00 73.35 C ATOM 99 C CYS A 7 -3.103 -12.416 -16.779 1.00 52.12 C ATOM 100 O CYS A 7 -3.649 -13.381 -16.243 1.00 11.23 O ATOM 101 CB CYS A 7 -1.029 -11.407 -15.810 1.00 62.52 C ATOM 102 SG CYS A 7 -0.478 -13.072 -15.318 1.00 23.53 S ATOM 0 H CYS A 7 -3.093 -12.101 -14.101 1.00 64.11 H new ATOM 0 HA CYS A 7 -2.773 -10.328 -16.451 1.00 73.35 H new ATOM 0 HB2 CYS A 7 -0.565 -11.149 -16.762 1.00 62.52 H new ATOM 0 HB3 CYS A 7 -0.671 -10.686 -15.075 1.00 62.52 H new ATOM 107 N THR A 8 -2.961 -12.306 -18.097 1.00 34.44 N ATOM 108 CA THR A 8 -3.450 -13.335 -19.006 1.00 53.11 C ATOM 109 C THR A 8 -2.305 -14.188 -19.538 1.00 44.14 C ATOM 110 O THR A 8 -1.172 -13.721 -19.656 1.00 45.25 O ATOM 111 CB THR A 8 -4.211 -12.718 -20.195 1.00 33.12 C ATOM 112 OG1 THR A 8 -4.236 -11.291 -20.074 1.00 22.54 O ATOM 113 CG2 THR A 8 -5.635 -13.251 -20.261 1.00 44.03 C ATOM 0 H THR A 8 -2.511 -11.515 -18.558 1.00 34.44 H new ATOM 0 HA THR A 8 -4.132 -13.964 -18.434 1.00 53.11 H new ATOM 0 HB THR A 8 -3.693 -12.995 -21.113 1.00 33.12 H new ATOM 0 HG1 THR A 8 -4.720 -10.907 -20.835 1.00 22.54 H new ATOM 0 HG21 THR A 8 -6.153 -12.801 -21.108 1.00 44.03 H new ATOM 0 HG22 THR A 8 -5.613 -14.334 -20.382 1.00 44.03 H new ATOM 0 HG23 THR A 8 -6.161 -13.000 -19.340 1.00 44.03 H new ATOM 121 N LYS A 9 -2.606 -15.441 -19.860 1.00 31.54 N ATOM 122 CA LYS A 9 -1.602 -16.361 -20.382 1.00 50.30 C ATOM 123 C LYS A 9 -1.320 -16.079 -21.854 1.00 42.23 C ATOM 124 O LYS A 9 -0.247 -16.403 -22.364 1.00 31.24 O ATOM 125 CB LYS A 9 -2.067 -17.808 -20.209 1.00 20.40 C ATOM 126 CG LYS A 9 -1.132 -18.827 -20.838 1.00 2.23 C ATOM 127 CD LYS A 9 -1.765 -20.207 -20.890 1.00 24.31 C ATOM 128 CE LYS A 9 -0.711 -21.300 -20.997 1.00 15.52 C ATOM 129 NZ LYS A 9 -0.722 -21.951 -22.336 1.00 0.10 N ATOM 0 H LYS A 9 -3.539 -15.844 -19.769 1.00 31.54 H new ATOM 0 HA LYS A 9 -0.681 -16.212 -19.818 1.00 50.30 H new ATOM 0 HB2 LYS A 9 -2.164 -18.025 -19.145 1.00 20.40 H new ATOM 0 HB3 LYS A 9 -3.058 -17.917 -20.649 1.00 20.40 H new ATOM 0 HG2 LYS A 9 -0.870 -18.508 -21.847 1.00 2.23 H new ATOM 0 HG3 LYS A 9 -0.205 -18.872 -20.267 1.00 2.23 H new ATOM 0 HD2 LYS A 9 -2.367 -20.367 -19.995 1.00 24.31 H new ATOM 0 HD3 LYS A 9 -2.441 -20.267 -21.743 1.00 24.31 H new ATOM 0 HE2 LYS A 9 0.274 -20.874 -20.808 1.00 15.52 H new ATOM 0 HE3 LYS A 9 -0.887 -22.051 -20.227 1.00 15.52 H new ATOM 0 HZ1 LYS A 9 0.010 -22.689 -22.369 1.00 0.10 H new ATOM 0 HZ2 LYS A 9 -1.654 -22.379 -22.506 1.00 0.10 H new ATOM 0 HZ3 LYS A 9 -0.529 -21.239 -23.070 1.00 0.10 H new ATOM 143 N SER A 10 -2.289 -15.472 -22.532 1.00 43.03 N ATOM 144 CA SER A 10 -2.145 -15.149 -23.947 1.00 1.51 C ATOM 145 C SER A 10 -1.394 -13.833 -24.130 1.00 24.33 C ATOM 146 O SER A 10 -0.467 -13.740 -24.935 1.00 23.43 O ATOM 147 CB SER A 10 -3.519 -15.061 -24.614 1.00 61.21 C ATOM 148 OG SER A 10 -4.464 -14.447 -23.756 1.00 15.03 O ATOM 0 H SER A 10 -3.182 -15.194 -22.125 1.00 43.03 H new ATOM 0 HA SER A 10 -1.570 -15.945 -24.419 1.00 1.51 H new ATOM 0 HB2 SER A 10 -3.441 -14.492 -25.541 1.00 61.21 H new ATOM 0 HB3 SER A 10 -3.862 -16.061 -24.881 1.00 61.21 H new ATOM 0 HG SER A 10 -5.333 -14.401 -24.206 1.00 15.03 H new ATOM 154 N LYS A 11 -1.800 -12.817 -23.376 1.00 75.33 N ATOM 155 CA LYS A 11 -1.167 -11.506 -23.452 1.00 71.12 C ATOM 156 C LYS A 11 0.023 -11.421 -22.501 1.00 54.23 C ATOM 157 O LYS A 11 0.856 -10.523 -22.614 1.00 60.14 O ATOM 158 CB LYS A 11 -2.179 -10.408 -23.119 1.00 54.23 C ATOM 159 CG LYS A 11 -3.483 -10.528 -23.890 1.00 44.12 C ATOM 160 CD LYS A 11 -3.727 -9.310 -24.765 1.00 14.32 C ATOM 161 CE LYS A 11 -3.285 -9.555 -26.199 1.00 71.42 C ATOM 162 NZ LYS A 11 -3.274 -8.299 -26.999 1.00 71.41 N ATOM 0 H LYS A 11 -2.566 -12.877 -22.705 1.00 75.33 H new ATOM 0 HA LYS A 11 -0.807 -11.362 -24.471 1.00 71.12 H new ATOM 0 HB2 LYS A 11 -2.394 -10.436 -22.051 1.00 54.23 H new ATOM 0 HB3 LYS A 11 -1.731 -9.437 -23.329 1.00 54.23 H new ATOM 0 HG2 LYS A 11 -3.459 -11.424 -24.510 1.00 44.12 H new ATOM 0 HG3 LYS A 11 -4.311 -10.647 -23.191 1.00 44.12 H new ATOM 0 HD2 LYS A 11 -4.787 -9.056 -24.748 1.00 14.32 H new ATOM 0 HD3 LYS A 11 -3.187 -8.455 -24.358 1.00 14.32 H new ATOM 0 HE2 LYS A 11 -2.288 -9.996 -26.201 1.00 71.42 H new ATOM 0 HE3 LYS A 11 -3.954 -10.277 -26.667 1.00 71.42 H new ATOM 0 HZ1 LYS A 11 -2.967 -8.509 -27.970 1.00 71.41 H new ATOM 0 HZ2 LYS A 11 -4.231 -7.891 -27.018 1.00 71.41 H new ATOM 0 HZ3 LYS A 11 -2.616 -7.618 -26.568 1.00 71.41 H new ATOM 176 N ASN A 12 0.095 -12.362 -21.566 1.00 2.14 N ATOM 177 CA ASN A 12 1.184 -12.393 -20.596 1.00 11.13 C ATOM 178 C ASN A 12 1.403 -11.014 -19.980 1.00 24.40 C ATOM 179 O ASN A 12 2.539 -10.599 -19.754 1.00 44.25 O ATOM 180 CB ASN A 12 2.474 -12.878 -21.261 1.00 15.01 C ATOM 181 CG ASN A 12 3.535 -13.266 -20.250 1.00 1.33 C ATOM 182 OD1 ASN A 12 3.444 -12.917 -19.072 1.00 75.54 O ATOM 183 ND2 ASN A 12 4.550 -13.990 -20.706 1.00 61.31 N ATOM 0 H ASN A 12 -0.587 -13.113 -21.459 1.00 2.14 H new ATOM 0 HA ASN A 12 0.910 -13.087 -19.801 1.00 11.13 H new ATOM 0 HB2 ASN A 12 2.252 -13.735 -21.897 1.00 15.01 H new ATOM 0 HB3 ASN A 12 2.863 -12.092 -21.909 1.00 15.01 H new ATOM 0 HD21 ASN A 12 5.295 -14.280 -20.072 1.00 61.31 H new ATOM 0 HD22 ASN A 12 4.585 -14.257 -21.690 1.00 61.31 H new ATOM 190 N GLU A 13 0.308 -10.311 -19.710 1.00 72.43 N ATOM 191 CA GLU A 13 0.381 -8.980 -19.121 1.00 3.31 C ATOM 192 C GLU A 13 -0.577 -8.854 -17.940 1.00 51.31 C ATOM 193 O GLU A 13 -1.738 -9.255 -18.023 1.00 14.42 O ATOM 194 CB GLU A 13 0.058 -7.914 -20.171 1.00 34.55 C ATOM 195 CG GLU A 13 -1.427 -7.780 -20.463 1.00 14.41 C ATOM 196 CD GLU A 13 -1.707 -7.412 -21.907 1.00 64.13 C ATOM 197 OE1 GLU A 13 -0.747 -7.071 -22.630 1.00 22.34 O ATOM 198 OE2 GLU A 13 -2.886 -7.466 -22.315 1.00 42.11 O ATOM 0 H GLU A 13 -0.640 -10.641 -19.890 1.00 72.43 H new ATOM 0 HA GLU A 13 1.398 -8.826 -18.759 1.00 3.31 H new ATOM 0 HB2 GLU A 13 0.441 -6.952 -19.830 1.00 34.55 H new ATOM 0 HB3 GLU A 13 0.581 -8.156 -21.096 1.00 34.55 H new ATOM 0 HG2 GLU A 13 -1.926 -8.720 -20.228 1.00 14.41 H new ATOM 0 HG3 GLU A 13 -1.855 -7.020 -19.809 1.00 14.41 H new ATOM 205 N CYS A 14 -0.082 -8.294 -16.841 1.00 71.50 N ATOM 206 CA CYS A 14 -0.892 -8.116 -15.642 1.00 40.30 C ATOM 207 C CYS A 14 -1.567 -6.747 -15.640 1.00 45.13 C ATOM 208 O CYS A 14 -1.226 -5.873 -16.438 1.00 24.11 O ATOM 209 CB CYS A 14 -0.028 -8.272 -14.389 1.00 64.14 C ATOM 210 SG CYS A 14 -0.916 -8.956 -12.954 1.00 21.33 S ATOM 0 H CYS A 14 0.877 -7.956 -16.756 1.00 71.50 H new ATOM 0 HA CYS A 14 -1.666 -8.884 -15.640 1.00 40.30 H new ATOM 0 HB2 CYS A 14 0.817 -8.919 -14.622 1.00 64.14 H new ATOM 0 HB3 CYS A 14 0.381 -7.298 -14.119 1.00 64.14 H new ATOM 215 N LYS A 15 -2.526 -6.567 -14.739 1.00 24.45 N ATOM 216 CA LYS A 15 -3.248 -5.306 -14.630 1.00 52.41 C ATOM 217 C LYS A 15 -3.622 -5.015 -13.180 1.00 61.40 C ATOM 218 O LYS A 15 -4.261 -5.834 -12.518 1.00 1.50 O ATOM 219 CB LYS A 15 -4.510 -5.341 -15.496 1.00 4.41 C ATOM 220 CG LYS A 15 -5.554 -6.330 -15.009 1.00 60.34 C ATOM 221 CD LYS A 15 -6.616 -5.649 -14.162 1.00 63.41 C ATOM 222 CE LYS A 15 -7.123 -6.567 -13.060 1.00 60.35 C ATOM 223 NZ LYS A 15 -7.291 -5.844 -11.769 1.00 64.34 N ATOM 0 H LYS A 15 -2.822 -7.280 -14.072 1.00 24.45 H new ATOM 0 HA LYS A 15 -2.593 -4.510 -14.984 1.00 52.41 H new ATOM 0 HB2 LYS A 15 -4.950 -4.344 -15.522 1.00 4.41 H new ATOM 0 HB3 LYS A 15 -4.232 -5.594 -16.519 1.00 4.41 H new ATOM 0 HG2 LYS A 15 -6.025 -6.814 -15.865 1.00 60.34 H new ATOM 0 HG3 LYS A 15 -5.070 -7.114 -14.426 1.00 60.34 H new ATOM 0 HD2 LYS A 15 -6.204 -4.742 -13.720 1.00 63.41 H new ATOM 0 HD3 LYS A 15 -7.449 -5.345 -14.796 1.00 63.41 H new ATOM 0 HE2 LYS A 15 -8.077 -7.002 -13.360 1.00 60.35 H new ATOM 0 HE3 LYS A 15 -6.425 -7.393 -12.925 1.00 60.35 H new ATOM 0 HZ1 LYS A 15 -7.686 -6.491 -11.057 1.00 64.34 H new ATOM 0 HZ2 LYS A 15 -6.367 -5.494 -11.444 1.00 64.34 H new ATOM 0 HZ3 LYS A 15 -7.938 -5.041 -11.903 1.00 64.34 H new ATOM 237 N TYR A 16 -3.221 -3.846 -12.693 1.00 70.33 N ATOM 238 CA TYR A 16 -3.513 -3.449 -11.321 1.00 53.02 C ATOM 239 C TYR A 16 -4.105 -2.044 -11.275 1.00 52.43 C ATOM 240 O TYR A 16 -4.017 -1.287 -12.243 1.00 24.32 O ATOM 241 CB TYR A 16 -2.244 -3.508 -10.470 1.00 11.04 C ATOM 242 CG TYR A 16 -1.140 -2.601 -10.965 1.00 30.33 C ATOM 243 CD1 TYR A 16 -0.322 -2.984 -12.021 1.00 2.52 C ATOM 244 CD2 TYR A 16 -0.914 -1.363 -10.376 1.00 72.22 C ATOM 245 CE1 TYR A 16 0.689 -2.159 -12.476 1.00 53.23 C ATOM 246 CE2 TYR A 16 0.093 -0.531 -10.826 1.00 32.51 C ATOM 247 CZ TYR A 16 0.892 -0.934 -11.876 1.00 14.30 C ATOM 248 OH TYR A 16 1.897 -0.109 -12.326 1.00 12.30 O ATOM 0 H TYR A 16 -2.693 -3.157 -13.228 1.00 70.33 H new ATOM 0 HA TYR A 16 -4.247 -4.146 -10.916 1.00 53.02 H new ATOM 0 HB2 TYR A 16 -2.492 -3.238 -9.444 1.00 11.04 H new ATOM 0 HB3 TYR A 16 -1.878 -4.534 -10.450 1.00 11.04 H new ATOM 0 HD1 TYR A 16 -0.479 -3.942 -12.494 1.00 2.52 H new ATOM 0 HD2 TYR A 16 -1.536 -1.046 -9.552 1.00 72.22 H new ATOM 0 HE1 TYR A 16 1.317 -2.472 -13.297 1.00 53.23 H new ATOM 0 HE2 TYR A 16 0.254 0.429 -10.359 1.00 32.51 H new ATOM 0 HH TYR A 16 1.905 0.716 -11.797 1.00 12.30 H new ATOM 258 N LYS A 17 -4.709 -1.700 -10.143 1.00 11.12 N ATOM 259 CA LYS A 17 -5.315 -0.385 -9.967 1.00 20.44 C ATOM 260 C LYS A 17 -4.379 0.548 -9.206 1.00 25.33 C ATOM 261 O LYS A 17 -3.986 0.262 -8.075 1.00 75.02 O ATOM 262 CB LYS A 17 -6.645 -0.510 -9.220 1.00 72.03 C ATOM 263 CG LYS A 17 -7.858 -0.207 -10.083 1.00 44.14 C ATOM 264 CD LYS A 17 -9.153 -0.402 -9.314 1.00 30.24 C ATOM 265 CE LYS A 17 -10.288 -0.831 -10.231 1.00 65.14 C ATOM 266 NZ LYS A 17 -11.401 -1.469 -9.476 1.00 13.31 N ATOM 0 H LYS A 17 -4.792 -2.314 -9.333 1.00 11.12 H new ATOM 0 HA LYS A 17 -5.498 0.038 -10.955 1.00 20.44 H new ATOM 0 HB2 LYS A 17 -6.735 -1.521 -8.823 1.00 72.03 H new ATOM 0 HB3 LYS A 17 -6.638 0.168 -8.367 1.00 72.03 H new ATOM 0 HG2 LYS A 17 -7.800 0.819 -10.446 1.00 44.14 H new ATOM 0 HG3 LYS A 17 -7.853 -0.855 -10.959 1.00 44.14 H new ATOM 0 HD2 LYS A 17 -9.007 -1.154 -8.538 1.00 30.24 H new ATOM 0 HD3 LYS A 17 -9.422 0.527 -8.811 1.00 30.24 H new ATOM 0 HE2 LYS A 17 -10.666 0.037 -10.771 1.00 65.14 H new ATOM 0 HE3 LYS A 17 -9.908 -1.529 -10.977 1.00 65.14 H new ATOM 0 HZ1 LYS A 17 -12.154 -1.747 -10.137 1.00 13.31 H new ATOM 0 HZ2 LYS A 17 -11.046 -2.312 -8.981 1.00 13.31 H new ATOM 0 HZ3 LYS A 17 -11.781 -0.794 -8.782 1.00 13.31 H new ATOM 280 N ASN A 18 -4.025 1.665 -9.833 1.00 71.22 N ATOM 281 CA ASN A 18 -3.135 2.640 -9.214 1.00 53.51 C ATOM 282 C ASN A 18 -3.883 3.482 -8.184 1.00 22.52 C ATOM 283 O ASN A 18 -5.085 3.310 -7.982 1.00 10.13 O ATOM 284 CB ASN A 18 -2.519 3.549 -10.280 1.00 74.44 C ATOM 285 CG ASN A 18 -3.570 4.242 -11.126 1.00 61.24 C ATOM 286 OD1 ASN A 18 -4.641 4.599 -10.636 1.00 50.21 O ATOM 287 ND2 ASN A 18 -3.267 4.435 -12.405 1.00 22.31 N ATOM 0 H ASN A 18 -4.341 1.917 -10.769 1.00 71.22 H new ATOM 0 HA ASN A 18 -2.339 2.096 -8.705 1.00 53.51 H new ATOM 0 HB2 ASN A 18 -1.893 4.299 -9.797 1.00 74.44 H new ATOM 0 HB3 ASN A 18 -1.868 2.959 -10.925 1.00 74.44 H new ATOM 0 HD21 ASN A 18 -3.935 4.896 -13.023 1.00 22.31 H new ATOM 0 HD22 ASN A 18 -2.367 4.122 -12.769 1.00 22.31 H new ATOM 294 N ASP A 19 -3.163 4.391 -7.536 1.00 23.42 N ATOM 295 CA ASP A 19 -3.757 5.260 -6.527 1.00 54.14 C ATOM 296 C ASP A 19 -4.863 6.119 -7.134 1.00 4.10 C ATOM 297 O ASP A 19 -5.773 6.562 -6.434 1.00 44.10 O ATOM 298 CB ASP A 19 -2.687 6.154 -5.898 1.00 72.53 C ATOM 299 CG ASP A 19 -3.183 6.862 -4.653 1.00 20.31 C ATOM 300 OD1 ASP A 19 -4.034 7.766 -4.783 1.00 53.35 O ATOM 301 OD2 ASP A 19 -2.720 6.511 -3.548 1.00 34.35 O ATOM 0 H ASP A 19 -2.167 4.545 -7.692 1.00 23.42 H new ATOM 0 HA ASP A 19 -4.194 4.630 -5.752 1.00 54.14 H new ATOM 0 HB2 ASP A 19 -1.815 5.550 -5.646 1.00 72.53 H new ATOM 0 HB3 ASP A 19 -2.361 6.895 -6.628 1.00 72.53 H new ATOM 306 N ALA A 20 -4.775 6.351 -8.440 1.00 14.03 N ATOM 307 CA ALA A 20 -5.768 7.156 -9.140 1.00 51.05 C ATOM 308 C ALA A 20 -7.068 6.382 -9.330 1.00 32.12 C ATOM 309 O ALA A 20 -8.095 6.953 -9.694 1.00 10.41 O ATOM 310 CB ALA A 20 -5.223 7.613 -10.485 1.00 50.04 C ATOM 0 H ALA A 20 -4.027 5.993 -9.034 1.00 14.03 H new ATOM 0 HA ALA A 20 -5.984 8.033 -8.530 1.00 51.05 H new ATOM 0 HB1 ALA A 20 -5.975 8.213 -10.997 1.00 50.04 H new ATOM 0 HB2 ALA A 20 -4.325 8.211 -10.330 1.00 50.04 H new ATOM 0 HB3 ALA A 20 -4.978 6.742 -11.093 1.00 50.04 H new ATOM 316 N GLY A 21 -7.016 5.077 -9.081 1.00 34.22 N ATOM 317 CA GLY A 21 -8.197 4.246 -9.230 1.00 65.44 C ATOM 318 C GLY A 21 -8.319 3.657 -10.622 1.00 5.01 C ATOM 319 O GLY A 21 -9.072 2.708 -10.839 1.00 54.24 O ATOM 0 H GLY A 21 -6.178 4.580 -8.779 1.00 34.22 H new ATOM 0 HA2 GLY A 21 -8.164 3.438 -8.499 1.00 65.44 H new ATOM 0 HA3 GLY A 21 -9.085 4.839 -9.010 1.00 65.44 H new ATOM 323 N LYS A 22 -7.576 4.221 -11.568 1.00 53.55 N ATOM 324 CA LYS A 22 -7.604 3.748 -12.947 1.00 61.02 C ATOM 325 C LYS A 22 -6.944 2.378 -13.065 1.00 72.33 C ATOM 326 O LYS A 22 -6.130 1.996 -12.225 1.00 23.04 O ATOM 327 CB LYS A 22 -6.897 4.747 -13.866 1.00 5.14 C ATOM 328 CG LYS A 22 -7.846 5.545 -14.743 1.00 30.32 C ATOM 329 CD LYS A 22 -8.752 6.440 -13.914 1.00 21.21 C ATOM 330 CE LYS A 22 -8.571 7.906 -14.277 1.00 63.41 C ATOM 331 NZ LYS A 22 -9.512 8.332 -15.349 1.00 71.14 N ATOM 0 H LYS A 22 -6.947 5.007 -11.405 1.00 53.55 H new ATOM 0 HA LYS A 22 -8.646 3.658 -13.253 1.00 61.02 H new ATOM 0 HB2 LYS A 22 -6.312 5.436 -13.257 1.00 5.14 H new ATOM 0 HB3 LYS A 22 -6.194 4.208 -14.502 1.00 5.14 H new ATOM 0 HG2 LYS A 22 -7.272 6.154 -15.442 1.00 30.32 H new ATOM 0 HG3 LYS A 22 -8.453 4.863 -15.339 1.00 30.32 H new ATOM 0 HD2 LYS A 22 -9.791 6.151 -14.070 1.00 21.21 H new ATOM 0 HD3 LYS A 22 -8.536 6.297 -12.855 1.00 21.21 H new ATOM 0 HE2 LYS A 22 -8.727 8.521 -13.391 1.00 63.41 H new ATOM 0 HE3 LYS A 22 -7.546 8.075 -14.606 1.00 63.41 H new ATOM 0 HZ1 LYS A 22 -9.357 9.337 -15.568 1.00 71.14 H new ATOM 0 HZ2 LYS A 22 -9.346 7.762 -16.203 1.00 71.14 H new ATOM 0 HZ3 LYS A 22 -10.491 8.195 -15.026 1.00 71.14 H new ATOM 345 N ASP A 23 -7.300 1.643 -14.114 1.00 1.45 N ATOM 346 CA ASP A 23 -6.740 0.316 -14.343 1.00 12.42 C ATOM 347 C ASP A 23 -5.556 0.384 -15.302 1.00 40.41 C ATOM 348 O ASP A 23 -5.694 0.816 -16.447 1.00 41.51 O ATOM 349 CB ASP A 23 -7.811 -0.623 -14.900 1.00 41.34 C ATOM 350 CG ASP A 23 -8.474 -0.070 -16.147 1.00 0.35 C ATOM 351 OD1 ASP A 23 -9.277 0.879 -16.021 1.00 23.13 O ATOM 352 OD2 ASP A 23 -8.190 -0.585 -17.248 1.00 4.03 O ATOM 0 H ASP A 23 -7.973 1.944 -14.818 1.00 1.45 H new ATOM 0 HA ASP A 23 -6.388 -0.073 -13.388 1.00 12.42 H new ATOM 0 HB2 ASP A 23 -7.360 -1.588 -15.129 1.00 41.34 H new ATOM 0 HB3 ASP A 23 -8.569 -0.799 -14.137 1.00 41.34 H new ATOM 357 N THR A 24 -4.391 -0.044 -14.827 1.00 64.31 N ATOM 358 CA THR A 24 -3.182 -0.030 -15.641 1.00 23.10 C ATOM 359 C THR A 24 -2.670 -1.444 -15.890 1.00 23.23 C ATOM 360 O THR A 24 -2.514 -2.232 -14.956 1.00 73.15 O ATOM 361 CB THR A 24 -2.066 0.798 -14.976 1.00 32.03 C ATOM 362 OG1 THR A 24 -2.629 1.937 -14.315 1.00 51.14 O ATOM 363 CG2 THR A 24 -1.045 1.256 -16.006 1.00 24.14 C ATOM 0 H THR A 24 -4.259 -0.405 -13.882 1.00 64.31 H new ATOM 0 HA THR A 24 -3.448 0.430 -16.593 1.00 23.10 H new ATOM 0 HB THR A 24 -1.562 0.166 -14.245 1.00 32.03 H new ATOM 0 HG1 THR A 24 -1.914 2.457 -13.893 1.00 51.14 H new ATOM 0 HG21 THR A 24 -0.267 1.839 -15.513 1.00 24.14 H new ATOM 0 HG22 THR A 24 -0.597 0.386 -16.486 1.00 24.14 H new ATOM 0 HG23 THR A 24 -1.538 1.872 -16.758 1.00 24.14 H new ATOM 371 N PHE A 25 -2.408 -1.760 -17.154 1.00 33.02 N ATOM 372 CA PHE A 25 -1.914 -3.081 -17.525 1.00 44.43 C ATOM 373 C PHE A 25 -0.472 -3.002 -18.020 1.00 31.03 C ATOM 374 O PHE A 25 -0.102 -2.075 -18.740 1.00 42.33 O ATOM 375 CB PHE A 25 -2.803 -3.696 -18.608 1.00 11.15 C ATOM 376 CG PHE A 25 -3.094 -2.762 -19.747 1.00 51.30 C ATOM 377 CD1 PHE A 25 -2.262 -2.717 -20.854 1.00 23.23 C ATOM 378 CD2 PHE A 25 -4.200 -1.928 -19.711 1.00 41.42 C ATOM 379 CE1 PHE A 25 -2.527 -1.859 -21.904 1.00 42.12 C ATOM 380 CE2 PHE A 25 -4.470 -1.068 -20.759 1.00 13.42 C ATOM 381 CZ PHE A 25 -3.632 -1.032 -21.856 1.00 71.31 C ATOM 0 H PHE A 25 -2.530 -1.119 -17.938 1.00 33.02 H new ATOM 0 HA PHE A 25 -1.942 -3.715 -16.638 1.00 44.43 H new ATOM 0 HB2 PHE A 25 -2.320 -4.592 -18.998 1.00 11.15 H new ATOM 0 HB3 PHE A 25 -3.744 -4.012 -18.158 1.00 11.15 H new ATOM 0 HD1 PHE A 25 -1.396 -3.361 -20.897 1.00 23.23 H new ATOM 0 HD2 PHE A 25 -4.858 -1.950 -18.855 1.00 41.42 H new ATOM 0 HE1 PHE A 25 -1.871 -1.835 -22.761 1.00 42.12 H new ATOM 0 HE2 PHE A 25 -5.336 -0.424 -20.720 1.00 13.42 H new ATOM 0 HZ PHE A 25 -3.840 -0.359 -22.674 1.00 71.31 H new ATOM 391 N ILE A 26 0.336 -3.981 -17.627 1.00 11.12 N ATOM 392 CA ILE A 26 1.736 -4.023 -18.030 1.00 30.20 C ATOM 393 C ILE A 26 2.161 -5.442 -18.392 1.00 22.33 C ATOM 394 O ILE A 26 1.721 -6.411 -17.773 1.00 30.33 O ATOM 395 CB ILE A 26 2.658 -3.491 -16.918 1.00 5.43 C ATOM 396 CG1 ILE A 26 4.073 -3.272 -17.459 1.00 53.31 C ATOM 397 CG2 ILE A 26 2.679 -4.454 -15.740 1.00 64.14 C ATOM 398 CD1 ILE A 26 4.623 -1.893 -17.171 1.00 4.23 C ATOM 0 H ILE A 26 0.045 -4.755 -17.030 1.00 11.12 H new ATOM 0 HA ILE A 26 1.831 -3.383 -18.907 1.00 30.20 H new ATOM 0 HB ILE A 26 2.269 -2.533 -16.572 1.00 5.43 H new ATOM 0 HG12 ILE A 26 4.739 -4.018 -17.025 1.00 53.31 H new ATOM 0 HG13 ILE A 26 4.071 -3.436 -18.537 1.00 53.31 H new ATOM 0 HG21 ILE A 26 3.335 -4.063 -14.962 1.00 64.14 H new ATOM 0 HG22 ILE A 26 1.670 -4.564 -15.342 1.00 64.14 H new ATOM 0 HG23 ILE A 26 3.046 -5.425 -16.071 1.00 64.14 H new ATOM 0 HD11 ILE A 26 5.629 -1.809 -17.583 1.00 4.23 H new ATOM 0 HD12 ILE A 26 3.979 -1.142 -17.629 1.00 4.23 H new ATOM 0 HD13 ILE A 26 4.658 -1.733 -16.093 1.00 4.23 H new ATOM 410 N LYS A 27 3.022 -5.558 -19.397 1.00 52.13 N ATOM 411 CA LYS A 27 3.511 -6.858 -19.841 1.00 53.10 C ATOM 412 C LYS A 27 4.390 -7.502 -18.774 1.00 15.05 C ATOM 413 O LYS A 27 5.087 -6.812 -18.030 1.00 0.34 O ATOM 414 CB LYS A 27 4.298 -6.712 -21.145 1.00 43.30 C ATOM 415 CG LYS A 27 5.284 -5.556 -21.134 1.00 22.31 C ATOM 416 CD LYS A 27 4.785 -4.389 -21.969 1.00 70.20 C ATOM 417 CE LYS A 27 5.817 -3.274 -22.042 1.00 31.24 C ATOM 418 NZ LYS A 27 7.145 -3.776 -22.489 1.00 64.25 N ATOM 0 H LYS A 27 3.396 -4.766 -19.920 1.00 52.13 H new ATOM 0 HA LYS A 27 2.649 -7.502 -20.014 1.00 53.10 H new ATOM 0 HB2 LYS A 27 4.839 -7.638 -21.339 1.00 43.30 H new ATOM 0 HB3 LYS A 27 3.598 -6.574 -21.969 1.00 43.30 H new ATOM 0 HG2 LYS A 27 5.448 -5.226 -20.108 1.00 22.31 H new ATOM 0 HG3 LYS A 27 6.246 -5.894 -21.518 1.00 22.31 H new ATOM 0 HD2 LYS A 27 4.550 -4.735 -22.976 1.00 70.20 H new ATOM 0 HD3 LYS A 27 3.860 -4.003 -21.540 1.00 70.20 H new ATOM 0 HE2 LYS A 27 5.470 -2.503 -22.730 1.00 31.24 H new ATOM 0 HE3 LYS A 27 5.916 -2.806 -21.062 1.00 31.24 H new ATOM 0 HZ1 LYS A 27 7.725 -2.978 -22.817 1.00 64.25 H new ATOM 0 HZ2 LYS A 27 7.623 -4.248 -21.695 1.00 64.25 H new ATOM 0 HZ3 LYS A 27 7.016 -4.453 -23.268 1.00 64.25 H new ATOM 432 N CYS A 28 4.352 -8.828 -18.704 1.00 64.54 N ATOM 433 CA CYS A 28 5.146 -9.566 -17.729 1.00 32.40 C ATOM 434 C CYS A 28 6.386 -10.170 -18.382 1.00 20.24 C ATOM 435 O CYS A 28 6.477 -10.294 -19.603 1.00 63.22 O ATOM 436 CB CYS A 28 4.305 -10.671 -17.087 1.00 74.42 C ATOM 437 SG CYS A 28 3.425 -10.155 -15.578 1.00 2.22 S ATOM 0 H CYS A 28 3.779 -9.414 -19.311 1.00 64.54 H new ATOM 0 HA CYS A 28 5.468 -8.868 -16.956 1.00 32.40 H new ATOM 0 HB2 CYS A 28 3.577 -11.028 -17.815 1.00 74.42 H new ATOM 0 HB3 CYS A 28 4.954 -11.513 -16.846 1.00 74.42 H new ATOM 442 N PRO A 29 7.365 -10.555 -17.549 1.00 75.40 N ATOM 443 CA PRO A 29 8.617 -11.153 -18.022 1.00 34.31 C ATOM 444 C PRO A 29 8.412 -12.555 -18.588 1.00 5.44 C ATOM 445 O PRO A 29 7.685 -13.367 -18.016 1.00 11.44 O ATOM 446 CB PRO A 29 9.483 -11.207 -16.761 1.00 13.31 C ATOM 447 CG PRO A 29 8.509 -11.247 -15.634 1.00 60.11 C ATOM 448 CD PRO A 29 7.324 -10.437 -16.082 1.00 34.42 C ATOM 0 HA PRO A 29 9.061 -10.580 -18.836 1.00 34.31 H new ATOM 0 HB2 PRO A 29 10.126 -12.087 -16.760 1.00 13.31 H new ATOM 0 HB3 PRO A 29 10.134 -10.336 -16.691 1.00 13.31 H new ATOM 0 HG2 PRO A 29 8.217 -12.272 -15.406 1.00 60.11 H new ATOM 0 HG3 PRO A 29 8.945 -10.831 -14.726 1.00 60.11 H new ATOM 0 HD2 PRO A 29 6.392 -10.828 -15.673 1.00 34.42 H new ATOM 0 HD3 PRO A 29 7.402 -9.399 -15.760 1.00 34.42 H new ATOM 456 N LYS A 30 9.059 -12.833 -19.714 1.00 44.23 N ATOM 457 CA LYS A 30 8.951 -14.137 -20.358 1.00 11.25 C ATOM 458 C LYS A 30 9.940 -15.127 -19.751 1.00 44.40 C ATOM 459 O LYS A 30 10.134 -16.225 -20.273 1.00 1.20 O ATOM 460 CB LYS A 30 9.199 -14.008 -21.862 1.00 60.52 C ATOM 461 CG LYS A 30 7.968 -13.592 -22.648 1.00 50.22 C ATOM 462 CD LYS A 30 7.112 -14.791 -23.021 1.00 44.24 C ATOM 463 CE LYS A 30 7.792 -15.655 -24.072 1.00 63.22 C ATOM 464 NZ LYS A 30 7.223 -15.429 -25.429 1.00 72.15 N ATOM 0 H LYS A 30 9.665 -12.172 -20.200 1.00 44.23 H new ATOM 0 HA LYS A 30 7.941 -14.513 -20.194 1.00 11.25 H new ATOM 0 HB2 LYS A 30 9.991 -13.278 -22.030 1.00 60.52 H new ATOM 0 HB3 LYS A 30 9.559 -14.963 -22.246 1.00 60.52 H new ATOM 0 HG2 LYS A 30 7.377 -12.892 -22.057 1.00 50.22 H new ATOM 0 HG3 LYS A 30 8.273 -13.067 -23.553 1.00 50.22 H new ATOM 0 HD2 LYS A 30 6.912 -15.388 -22.131 1.00 44.24 H new ATOM 0 HD3 LYS A 30 6.148 -14.448 -23.398 1.00 44.24 H new ATOM 0 HE2 LYS A 30 8.860 -15.437 -24.085 1.00 63.22 H new ATOM 0 HE3 LYS A 30 7.684 -16.706 -23.803 1.00 63.22 H new ATOM 0 HZ1 LYS A 30 7.713 -16.036 -26.116 1.00 72.15 H new ATOM 0 HZ2 LYS A 30 6.209 -15.661 -25.423 1.00 72.15 H new ATOM 0 HZ3 LYS A 30 7.349 -14.432 -25.696 1.00 72.15 H new ATOM 478 N PHE A 31 10.563 -14.732 -18.646 1.00 2.44 N ATOM 479 CA PHE A 31 11.532 -15.585 -17.968 1.00 4.43 C ATOM 480 C PHE A 31 10.830 -16.692 -17.188 1.00 22.24 C ATOM 481 O PHE A 31 9.786 -16.469 -16.575 1.00 0.30 O ATOM 482 CB PHE A 31 12.403 -14.753 -17.023 1.00 72.12 C ATOM 483 CG PHE A 31 13.541 -14.058 -17.713 1.00 44.03 C ATOM 484 CD1 PHE A 31 13.339 -12.856 -18.372 1.00 64.03 C ATOM 485 CD2 PHE A 31 14.814 -14.606 -17.703 1.00 32.25 C ATOM 486 CE1 PHE A 31 14.385 -12.215 -19.009 1.00 3.12 C ATOM 487 CE2 PHE A 31 15.864 -13.969 -18.337 1.00 32.31 C ATOM 488 CZ PHE A 31 15.649 -12.771 -18.990 1.00 63.50 C ATOM 0 H PHE A 31 10.414 -13.826 -18.201 1.00 2.44 H new ATOM 0 HA PHE A 31 12.167 -16.045 -18.726 1.00 4.43 H new ATOM 0 HB2 PHE A 31 11.779 -14.008 -16.528 1.00 72.12 H new ATOM 0 HB3 PHE A 31 12.803 -15.402 -16.244 1.00 72.12 H new ATOM 0 HD1 PHE A 31 12.353 -12.415 -18.388 1.00 64.03 H new ATOM 0 HD2 PHE A 31 14.988 -15.542 -17.194 1.00 32.25 H new ATOM 0 HE1 PHE A 31 14.214 -11.280 -19.521 1.00 3.12 H new ATOM 0 HE2 PHE A 31 16.851 -14.407 -18.322 1.00 32.31 H new ATOM 0 HZ PHE A 31 16.468 -12.270 -19.485 1.00 63.50 H new ATOM 498 N ASP A 32 11.411 -17.887 -17.216 1.00 12.31 N ATOM 499 CA ASP A 32 10.842 -19.030 -16.512 1.00 22.14 C ATOM 500 C ASP A 32 10.724 -18.744 -15.018 1.00 33.12 C ATOM 501 O ASP A 32 9.973 -19.410 -14.306 1.00 61.12 O ATOM 502 CB ASP A 32 11.702 -20.275 -16.739 1.00 14.24 C ATOM 503 CG ASP A 32 11.159 -21.160 -17.843 1.00 54.45 C ATOM 504 OD1 ASP A 32 10.364 -20.660 -18.668 1.00 20.03 O ATOM 505 OD2 ASP A 32 11.529 -22.351 -17.885 1.00 32.34 O ATOM 0 H ASP A 32 12.275 -18.089 -17.719 1.00 12.31 H new ATOM 0 HA ASP A 32 9.843 -19.210 -16.909 1.00 22.14 H new ATOM 0 HB2 ASP A 32 12.718 -19.970 -16.988 1.00 14.24 H new ATOM 0 HB3 ASP A 32 11.759 -20.848 -15.813 1.00 14.24 H new ATOM 510 N ASN A 33 11.471 -17.750 -14.550 1.00 10.42 N ATOM 511 CA ASN A 33 11.451 -17.377 -13.140 1.00 51.51 C ATOM 512 C ASN A 33 10.116 -16.741 -12.764 1.00 75.35 C ATOM 513 O ASN A 33 9.640 -16.888 -11.638 1.00 61.33 O ATOM 514 CB ASN A 33 12.594 -16.408 -12.831 1.00 41.31 C ATOM 515 CG ASN A 33 12.213 -14.963 -13.090 1.00 44.22 C ATOM 516 OD1 ASN A 33 11.809 -14.605 -14.196 1.00 40.44 O ATOM 517 ND2 ASN A 33 12.342 -14.125 -12.068 1.00 13.10 N ATOM 0 H ASN A 33 12.098 -17.188 -15.126 1.00 10.42 H new ATOM 0 HA ASN A 33 11.581 -18.283 -12.549 1.00 51.51 H new ATOM 0 HB2 ASN A 33 12.891 -16.521 -11.788 1.00 41.31 H new ATOM 0 HB3 ASN A 33 13.461 -16.667 -13.439 1.00 41.31 H new ATOM 0 HD21 ASN A 33 12.102 -13.140 -12.183 1.00 13.10 H new ATOM 0 HD22 ASN A 33 12.681 -14.466 -11.168 1.00 13.10 H new ATOM 524 N LYS A 34 9.514 -16.035 -13.716 1.00 4.23 N ATOM 525 CA LYS A 34 8.233 -15.378 -13.487 1.00 52.04 C ATOM 526 C LYS A 34 7.494 -15.155 -14.803 1.00 12.21 C ATOM 527 O LYS A 34 8.014 -14.517 -15.719 1.00 34.02 O ATOM 528 CB LYS A 34 8.442 -14.040 -12.774 1.00 70.14 C ATOM 529 CG LYS A 34 7.540 -13.847 -11.567 1.00 44.45 C ATOM 530 CD LYS A 34 7.897 -14.807 -10.445 1.00 73.35 C ATOM 531 CE LYS A 34 9.310 -14.569 -9.936 1.00 32.43 C ATOM 532 NZ LYS A 34 9.613 -15.396 -8.735 1.00 13.14 N ATOM 0 H LYS A 34 9.893 -15.903 -14.654 1.00 4.23 H new ATOM 0 HA LYS A 34 7.627 -16.028 -12.855 1.00 52.04 H new ATOM 0 HB2 LYS A 34 9.482 -13.966 -12.456 1.00 70.14 H new ATOM 0 HB3 LYS A 34 8.267 -13.229 -13.481 1.00 70.14 H new ATOM 0 HG2 LYS A 34 7.624 -12.821 -11.209 1.00 44.45 H new ATOM 0 HG3 LYS A 34 6.501 -13.999 -11.860 1.00 44.45 H new ATOM 0 HD2 LYS A 34 7.189 -14.689 -9.625 1.00 73.35 H new ATOM 0 HD3 LYS A 34 7.805 -15.833 -10.800 1.00 73.35 H new ATOM 0 HE2 LYS A 34 10.024 -14.800 -10.726 1.00 32.43 H new ATOM 0 HE3 LYS A 34 9.435 -13.514 -9.692 1.00 32.43 H new ATOM 0 HZ1 LYS A 34 10.585 -15.205 -8.418 1.00 13.14 H new ATOM 0 HZ2 LYS A 34 8.947 -15.157 -7.972 1.00 13.14 H new ATOM 0 HZ3 LYS A 34 9.518 -16.404 -8.974 1.00 13.14 H new ATOM 546 N LYS A 35 6.278 -15.683 -14.890 1.00 14.11 N ATOM 547 CA LYS A 35 5.465 -15.539 -16.092 1.00 71.50 C ATOM 548 C LYS A 35 4.024 -15.966 -15.829 1.00 2.32 C ATOM 549 O LYS A 35 3.686 -16.401 -14.728 1.00 22.52 O ATOM 550 CB LYS A 35 6.054 -16.372 -17.233 1.00 31.10 C ATOM 551 CG LYS A 35 6.188 -17.848 -16.902 1.00 63.41 C ATOM 552 CD LYS A 35 7.228 -18.524 -17.780 1.00 71.43 C ATOM 553 CE LYS A 35 6.584 -19.486 -18.767 1.00 33.21 C ATOM 554 NZ LYS A 35 7.546 -19.937 -19.811 1.00 15.24 N ATOM 0 H LYS A 35 5.833 -16.215 -14.142 1.00 14.11 H new ATOM 0 HA LYS A 35 5.467 -14.487 -16.378 1.00 71.50 H new ATOM 0 HB2 LYS A 35 5.423 -16.262 -18.115 1.00 31.10 H new ATOM 0 HB3 LYS A 35 7.036 -15.976 -17.492 1.00 31.10 H new ATOM 0 HG2 LYS A 35 6.465 -17.963 -15.854 1.00 63.41 H new ATOM 0 HG3 LYS A 35 5.224 -18.340 -17.033 1.00 63.41 H new ATOM 0 HD2 LYS A 35 7.794 -17.768 -18.324 1.00 71.43 H new ATOM 0 HD3 LYS A 35 7.938 -19.064 -17.154 1.00 71.43 H new ATOM 0 HE2 LYS A 35 6.198 -20.353 -18.230 1.00 33.21 H new ATOM 0 HE3 LYS A 35 5.732 -19.001 -19.244 1.00 33.21 H new ATOM 0 HZ1 LYS A 35 7.175 -20.788 -20.280 1.00 15.24 H new ATOM 0 HZ2 LYS A 35 7.674 -19.182 -20.515 1.00 15.24 H new ATOM 0 HZ3 LYS A 35 8.461 -20.156 -19.368 1.00 15.24 H new ATOM 568 N CYS A 36 3.179 -15.838 -16.846 1.00 60.42 N ATOM 569 CA CYS A 36 1.775 -16.211 -16.726 1.00 32.13 C ATOM 570 C CYS A 36 1.527 -17.595 -17.318 1.00 74.25 C ATOM 571 O CYS A 36 1.756 -17.825 -18.506 1.00 64.33 O ATOM 572 CB CYS A 36 0.889 -15.178 -17.426 1.00 24.22 C ATOM 573 SG CYS A 36 -0.498 -14.578 -16.410 1.00 11.43 S ATOM 0 H CYS A 36 3.442 -15.478 -17.763 1.00 60.42 H new ATOM 0 HA CYS A 36 1.522 -16.238 -15.666 1.00 32.13 H new ATOM 0 HB2 CYS A 36 1.504 -14.328 -17.721 1.00 24.22 H new ATOM 0 HB3 CYS A 36 0.492 -15.617 -18.341 1.00 24.22 H new ATOM 578 N THR A 37 1.055 -18.515 -16.482 1.00 62.24 N ATOM 579 CA THR A 37 0.776 -19.876 -16.922 1.00 64.51 C ATOM 580 C THR A 37 -0.695 -20.048 -17.281 1.00 52.31 C ATOM 581 O THR A 37 -1.043 -20.837 -18.160 1.00 11.03 O ATOM 582 CB THR A 37 1.152 -20.905 -15.839 1.00 12.25 C ATOM 583 OG1 THR A 37 0.746 -20.429 -14.550 1.00 72.43 O ATOM 584 CG2 THR A 37 2.650 -21.168 -15.838 1.00 60.44 C ATOM 0 H THR A 37 0.858 -18.342 -15.496 1.00 62.24 H new ATOM 0 HA THR A 37 1.386 -20.052 -17.808 1.00 64.51 H new ATOM 0 HB THR A 37 0.636 -21.839 -16.062 1.00 12.25 H new ATOM 0 HG1 THR A 37 0.987 -21.089 -13.867 1.00 72.43 H new ATOM 0 HG21 THR A 37 2.891 -21.898 -15.065 1.00 60.44 H new ATOM 0 HG22 THR A 37 2.952 -21.557 -16.811 1.00 60.44 H new ATOM 0 HG23 THR A 37 3.183 -20.238 -15.638 1.00 60.44 H new ATOM 592 N LYS A 38 -1.557 -19.303 -16.597 1.00 21.14 N ATOM 593 CA LYS A 38 -2.992 -19.370 -16.844 1.00 72.42 C ATOM 594 C LYS A 38 -3.600 -17.973 -16.906 1.00 2.32 C ATOM 595 O LYS A 38 -3.078 -17.032 -16.307 1.00 50.22 O ATOM 596 CB LYS A 38 -3.681 -20.190 -15.751 1.00 13.23 C ATOM 597 CG LYS A 38 -4.948 -20.885 -16.219 1.00 30.03 C ATOM 598 CD LYS A 38 -4.736 -22.381 -16.379 1.00 34.11 C ATOM 599 CE LYS A 38 -5.383 -22.902 -17.653 1.00 63.23 C ATOM 600 NZ LYS A 38 -5.911 -24.284 -17.483 1.00 21.05 N ATOM 0 H LYS A 38 -1.286 -18.645 -15.866 1.00 21.14 H new ATOM 0 HA LYS A 38 -3.147 -19.857 -17.807 1.00 72.42 H new ATOM 0 HB2 LYS A 38 -2.983 -20.939 -15.376 1.00 13.23 H new ATOM 0 HB3 LYS A 38 -3.924 -19.534 -14.915 1.00 13.23 H new ATOM 0 HG2 LYS A 38 -5.749 -20.705 -15.502 1.00 30.03 H new ATOM 0 HG3 LYS A 38 -5.269 -20.458 -17.169 1.00 30.03 H new ATOM 0 HD2 LYS A 38 -3.668 -22.598 -16.397 1.00 34.11 H new ATOM 0 HD3 LYS A 38 -5.153 -22.903 -15.518 1.00 34.11 H new ATOM 0 HE2 LYS A 38 -6.195 -22.237 -17.946 1.00 63.23 H new ATOM 0 HE3 LYS A 38 -4.653 -22.889 -18.462 1.00 63.23 H new ATOM 0 HZ1 LYS A 38 -6.344 -24.602 -18.373 1.00 21.05 H new ATOM 0 HZ2 LYS A 38 -5.132 -24.924 -17.228 1.00 21.05 H new ATOM 0 HZ3 LYS A 38 -6.626 -24.292 -16.728 1.00 21.05 H new ATOM 614 N ASP A 39 -4.705 -17.845 -17.631 1.00 51.45 N ATOM 615 CA ASP A 39 -5.385 -16.562 -17.769 1.00 12.12 C ATOM 616 C ASP A 39 -6.114 -16.192 -16.480 1.00 63.44 C ATOM 617 O ASP A 39 -6.459 -17.061 -15.680 1.00 45.31 O ATOM 618 CB ASP A 39 -6.375 -16.608 -18.934 1.00 11.41 C ATOM 619 CG ASP A 39 -7.621 -17.406 -18.604 1.00 61.02 C ATOM 620 OD1 ASP A 39 -7.489 -18.606 -18.287 1.00 20.34 O ATOM 621 OD2 ASP A 39 -8.728 -16.831 -18.665 1.00 10.13 O ATOM 0 H ASP A 39 -5.150 -18.614 -18.133 1.00 51.45 H new ATOM 0 HA ASP A 39 -4.633 -15.800 -17.972 1.00 12.12 H new ATOM 0 HB2 ASP A 39 -6.660 -15.591 -19.205 1.00 11.41 H new ATOM 0 HB3 ASP A 39 -5.887 -17.046 -19.805 1.00 11.41 H new ATOM 626 N ASN A 40 -6.343 -14.898 -16.287 1.00 14.31 N ATOM 627 CA ASN A 40 -7.029 -14.413 -15.095 1.00 15.03 C ATOM 628 C ASN A 40 -6.204 -14.691 -13.842 1.00 14.53 C ATOM 629 O ASN A 40 -6.706 -14.595 -12.722 1.00 41.15 O ATOM 630 CB ASN A 40 -8.405 -15.071 -14.969 1.00 60.24 C ATOM 631 CG ASN A 40 -9.336 -14.295 -14.059 1.00 15.05 C ATOM 632 OD1 ASN A 40 -9.943 -13.306 -14.470 1.00 0.32 O ATOM 633 ND2 ASN A 40 -9.454 -14.741 -12.813 1.00 62.44 N ATOM 0 H ASN A 40 -6.064 -14.166 -16.940 1.00 14.31 H new ATOM 0 HA ASN A 40 -7.157 -13.335 -15.193 1.00 15.03 H new ATOM 0 HB2 ASN A 40 -8.856 -15.156 -15.958 1.00 60.24 H new ATOM 0 HB3 ASN A 40 -8.286 -16.084 -14.584 1.00 60.24 H new ATOM 0 HD21 ASN A 40 -10.067 -14.259 -12.155 1.00 62.44 H new ATOM 0 HD22 ASN A 40 -8.932 -15.565 -12.515 1.00 62.44 H new ATOM 640 N ASN A 41 -4.936 -15.034 -14.039 1.00 62.13 N ATOM 641 CA ASN A 41 -4.041 -15.326 -12.925 1.00 44.44 C ATOM 642 C ASN A 41 -3.903 -14.115 -12.007 1.00 61.11 C ATOM 643 O ASN A 41 -4.624 -13.127 -12.151 1.00 22.44 O ATOM 644 CB ASN A 41 -2.664 -15.744 -13.446 1.00 51.13 C ATOM 645 CG ASN A 41 -2.307 -17.166 -13.059 1.00 10.11 C ATOM 646 OD1 ASN A 41 -2.801 -17.692 -12.062 1.00 30.14 O ATOM 647 ND2 ASN A 41 -1.444 -17.795 -13.848 1.00 72.14 N ATOM 0 H ASN A 41 -4.504 -15.117 -14.960 1.00 62.13 H new ATOM 0 HA ASN A 41 -4.470 -16.148 -12.352 1.00 44.44 H new ATOM 0 HB2 ASN A 41 -2.646 -15.650 -14.532 1.00 51.13 H new ATOM 0 HB3 ASN A 41 -1.908 -15.063 -13.054 1.00 51.13 H new ATOM 0 HD21 ASN A 41 -1.166 -18.753 -13.638 1.00 72.14 H new ATOM 0 HD22 ASN A 41 -1.060 -17.320 -14.665 1.00 72.14 H new ATOM 654 N LYS A 42 -2.971 -14.198 -11.063 1.00 74.42 N ATOM 655 CA LYS A 42 -2.736 -13.110 -10.122 1.00 32.34 C ATOM 656 C LYS A 42 -1.253 -12.761 -10.054 1.00 0.33 C ATOM 657 O LYS A 42 -0.393 -13.612 -10.283 1.00 0.40 O ATOM 658 CB LYS A 42 -3.245 -13.494 -8.730 1.00 41.41 C ATOM 659 CG LYS A 42 -4.289 -12.538 -8.180 1.00 14.12 C ATOM 660 CD LYS A 42 -5.611 -12.672 -8.917 1.00 34.24 C ATOM 661 CE LYS A 42 -6.236 -14.041 -8.696 1.00 30.33 C ATOM 662 NZ LYS A 42 -6.355 -14.370 -7.248 1.00 53.51 N ATOM 0 H LYS A 42 -2.366 -15.008 -10.930 1.00 74.42 H new ATOM 0 HA LYS A 42 -3.282 -12.234 -10.473 1.00 32.34 H new ATOM 0 HB2 LYS A 42 -3.669 -14.497 -8.771 1.00 41.41 H new ATOM 0 HB3 LYS A 42 -2.401 -13.533 -8.041 1.00 41.41 H new ATOM 0 HG2 LYS A 42 -4.441 -12.735 -7.119 1.00 14.12 H new ATOM 0 HG3 LYS A 42 -3.926 -11.514 -8.265 1.00 14.12 H new ATOM 0 HD2 LYS A 42 -6.299 -11.898 -8.577 1.00 34.24 H new ATOM 0 HD3 LYS A 42 -5.452 -12.511 -9.983 1.00 34.24 H new ATOM 0 HE2 LYS A 42 -7.223 -14.068 -9.157 1.00 30.33 H new ATOM 0 HE3 LYS A 42 -5.632 -14.800 -9.192 1.00 30.33 H new ATOM 0 HZ1 LYS A 42 -7.015 -15.164 -7.126 1.00 53.51 H new ATOM 0 HZ2 LYS A 42 -5.421 -14.635 -6.874 1.00 53.51 H new ATOM 0 HZ3 LYS A 42 -6.712 -13.541 -6.732 1.00 53.51 H new ATOM 676 N CYS A 43 -0.960 -11.504 -9.736 1.00 21.10 N ATOM 677 CA CYS A 43 0.419 -11.042 -9.636 1.00 41.35 C ATOM 678 C CYS A 43 0.577 -10.042 -8.494 1.00 74.31 C ATOM 679 O CYS A 43 -0.394 -9.692 -7.822 1.00 1.30 O ATOM 680 CB CYS A 43 0.860 -10.401 -10.954 1.00 5.12 C ATOM 681 SG CYS A 43 0.091 -8.784 -11.289 1.00 30.04 S ATOM 0 H CYS A 43 -1.660 -10.787 -9.543 1.00 21.10 H new ATOM 0 HA CYS A 43 1.051 -11.905 -9.429 1.00 41.35 H new ATOM 0 HB2 CYS A 43 1.943 -10.281 -10.942 1.00 5.12 H new ATOM 0 HB3 CYS A 43 0.624 -11.080 -11.773 1.00 5.12 H new ATOM 686 N THR A 44 1.807 -9.586 -8.280 1.00 31.25 N ATOM 687 CA THR A 44 2.093 -8.628 -7.219 1.00 33.30 C ATOM 688 C THR A 44 3.036 -7.534 -7.706 1.00 22.43 C ATOM 689 O THR A 44 3.971 -7.798 -8.462 1.00 70.02 O ATOM 690 CB THR A 44 2.716 -9.319 -5.991 1.00 52.02 C ATOM 691 OG1 THR A 44 3.460 -10.471 -6.402 1.00 71.23 O ATOM 692 CG2 THR A 44 1.640 -9.732 -4.998 1.00 54.33 C ATOM 0 H THR A 44 2.621 -9.865 -8.827 1.00 31.25 H new ATOM 0 HA THR A 44 1.141 -8.182 -6.931 1.00 33.30 H new ATOM 0 HB THR A 44 3.385 -8.610 -5.503 1.00 52.02 H new ATOM 0 HG1 THR A 44 3.854 -10.904 -5.616 1.00 71.23 H new ATOM 0 HG21 THR A 44 2.104 -10.218 -4.140 1.00 54.33 H new ATOM 0 HG22 THR A 44 1.095 -8.849 -4.664 1.00 54.33 H new ATOM 0 HG23 THR A 44 0.949 -10.425 -5.478 1.00 54.33 H new ATOM 700 N VAL A 45 2.786 -6.305 -7.267 1.00 11.14 N ATOM 701 CA VAL A 45 3.615 -5.170 -7.656 1.00 73.54 C ATOM 702 C VAL A 45 3.842 -4.226 -6.481 1.00 73.32 C ATOM 703 O VAL A 45 2.890 -3.748 -5.863 1.00 25.42 O ATOM 704 CB VAL A 45 2.979 -4.383 -8.818 1.00 34.44 C ATOM 705 CG1 VAL A 45 3.867 -3.217 -9.223 1.00 23.34 C ATOM 706 CG2 VAL A 45 2.716 -5.301 -10.002 1.00 64.12 C ATOM 0 H VAL A 45 2.016 -6.069 -6.641 1.00 11.14 H new ATOM 0 HA VAL A 45 4.573 -5.575 -7.982 1.00 73.54 H new ATOM 0 HB VAL A 45 2.024 -3.980 -8.481 1.00 34.44 H new ATOM 0 HG11 VAL A 45 3.401 -2.673 -10.045 1.00 23.34 H new ATOM 0 HG12 VAL A 45 3.998 -2.547 -8.373 1.00 23.34 H new ATOM 0 HG13 VAL A 45 4.839 -3.593 -9.542 1.00 23.34 H new ATOM 0 HG21 VAL A 45 2.267 -4.729 -10.813 1.00 64.12 H new ATOM 0 HG22 VAL A 45 3.656 -5.735 -10.342 1.00 64.12 H new ATOM 0 HG23 VAL A 45 2.036 -6.098 -9.701 1.00 64.12 H new ATOM 716 N ASP A 46 5.108 -3.961 -6.179 1.00 32.34 N ATOM 717 CA ASP A 46 5.461 -3.072 -5.078 1.00 31.21 C ATOM 718 C ASP A 46 6.059 -1.770 -5.601 1.00 62.34 C ATOM 719 O ASP A 46 6.951 -1.781 -6.451 1.00 55.13 O ATOM 720 CB ASP A 46 6.450 -3.760 -4.136 1.00 21.12 C ATOM 721 CG ASP A 46 5.881 -3.960 -2.745 1.00 23.41 C ATOM 722 OD1 ASP A 46 5.923 -3.004 -1.944 1.00 1.42 O ATOM 723 OD2 ASP A 46 5.395 -5.074 -2.457 1.00 61.40 O ATOM 0 H ASP A 46 5.907 -4.349 -6.681 1.00 32.34 H new ATOM 0 HA ASP A 46 4.550 -2.837 -4.527 1.00 31.21 H new ATOM 0 HB2 ASP A 46 6.732 -4.727 -4.553 1.00 21.12 H new ATOM 0 HB3 ASP A 46 7.360 -3.164 -4.071 1.00 21.12 H new ATOM 728 N THR A 47 5.563 -0.648 -5.089 1.00 74.43 N ATOM 729 CA THR A 47 6.046 0.662 -5.506 1.00 71.33 C ATOM 730 C THR A 47 7.279 1.072 -4.710 1.00 21.13 C ATOM 731 O THR A 47 8.014 1.976 -5.107 1.00 2.31 O ATOM 732 CB THR A 47 4.959 1.741 -5.340 1.00 61.50 C ATOM 733 OG1 THR A 47 3.721 1.133 -4.953 1.00 43.41 O ATOM 734 CG2 THR A 47 4.766 2.518 -6.633 1.00 60.03 C ATOM 0 H THR A 47 4.826 -0.621 -4.384 1.00 74.43 H new ATOM 0 HA THR A 47 6.308 0.581 -6.561 1.00 71.33 H new ATOM 0 HB THR A 47 5.281 2.434 -4.563 1.00 61.50 H new ATOM 0 HG1 THR A 47 3.035 1.825 -4.848 1.00 43.41 H new ATOM 0 HG21 THR A 47 3.994 3.274 -6.491 1.00 60.03 H new ATOM 0 HG22 THR A 47 5.702 3.003 -6.909 1.00 60.03 H new ATOM 0 HG23 THR A 47 4.463 1.835 -7.426 1.00 60.03 H new ATOM 742 N TYR A 48 7.501 0.402 -3.585 1.00 33.55 N ATOM 743 CA TYR A 48 8.645 0.698 -2.731 1.00 31.01 C ATOM 744 C TYR A 48 9.919 0.075 -3.292 1.00 64.12 C ATOM 745 O TYR A 48 10.965 0.720 -3.351 1.00 1.02 O ATOM 746 CB TYR A 48 8.395 0.185 -1.312 1.00 25.04 C ATOM 747 CG TYR A 48 8.769 1.178 -0.234 1.00 52.24 C ATOM 748 CD1 TYR A 48 9.979 1.859 -0.279 1.00 64.13 C ATOM 749 CD2 TYR A 48 7.912 1.435 0.828 1.00 11.35 C ATOM 750 CE1 TYR A 48 10.325 2.767 0.703 1.00 62.30 C ATOM 751 CE2 TYR A 48 8.249 2.342 1.814 1.00 13.53 C ATOM 752 CZ TYR A 48 9.456 3.005 1.747 1.00 4.43 C ATOM 753 OH TYR A 48 9.796 3.909 2.728 1.00 22.21 O ATOM 0 H TYR A 48 6.903 -0.350 -3.243 1.00 33.55 H new ATOM 0 HA TYR A 48 8.774 1.780 -2.702 1.00 31.01 H new ATOM 0 HB2 TYR A 48 7.341 -0.072 -1.208 1.00 25.04 H new ATOM 0 HB3 TYR A 48 8.963 -0.733 -1.161 1.00 25.04 H new ATOM 0 HD1 TYR A 48 10.661 1.675 -1.096 1.00 64.13 H new ATOM 0 HD2 TYR A 48 6.966 0.917 0.884 1.00 11.35 H new ATOM 0 HE1 TYR A 48 11.270 3.287 0.653 1.00 62.30 H new ATOM 0 HE2 TYR A 48 7.571 2.531 2.633 1.00 13.53 H new ATOM 0 HH TYR A 48 9.075 3.961 3.389 1.00 22.21 H new ATOM 763 N ASN A 49 9.822 -1.185 -3.705 1.00 3.13 N ATOM 764 CA ASN A 49 10.967 -1.897 -4.262 1.00 15.00 C ATOM 765 C ASN A 49 10.858 -1.996 -5.781 1.00 24.44 C ATOM 766 O ASN A 49 11.760 -2.506 -6.445 1.00 52.40 O ATOM 767 CB ASN A 49 11.068 -3.297 -3.654 1.00 34.41 C ATOM 768 CG ASN A 49 9.712 -3.957 -3.492 1.00 55.32 C ATOM 769 OD1 ASN A 49 9.201 -4.587 -4.418 1.00 62.41 O ATOM 770 ND2 ASN A 49 9.121 -3.813 -2.311 1.00 61.04 N ATOM 0 H ASN A 49 8.963 -1.734 -3.665 1.00 3.13 H new ATOM 0 HA ASN A 49 11.868 -1.336 -4.016 1.00 15.00 H new ATOM 0 HB2 ASN A 49 11.699 -3.920 -4.287 1.00 34.41 H new ATOM 0 HB3 ASN A 49 11.556 -3.233 -2.682 1.00 34.41 H new ATOM 0 HD21 ASN A 49 8.207 -4.233 -2.144 1.00 61.04 H new ATOM 0 HD22 ASN A 49 9.581 -3.282 -1.572 1.00 61.04 H new ATOM 777 N ASN A 50 9.749 -1.505 -6.323 1.00 33.33 N ATOM 778 CA ASN A 50 9.522 -1.539 -7.763 1.00 42.40 C ATOM 779 C ASN A 50 9.707 -2.951 -8.310 1.00 52.33 C ATOM 780 O ASN A 50 10.161 -3.135 -9.439 1.00 72.40 O ATOM 781 CB ASN A 50 10.476 -0.576 -8.473 1.00 4.23 C ATOM 782 CG ASN A 50 9.850 0.060 -9.699 1.00 0.13 C ATOM 783 OD1 ASN A 50 8.850 -0.430 -10.224 1.00 25.51 O ATOM 784 ND2 ASN A 50 10.437 1.158 -10.161 1.00 20.12 N ATOM 0 H ASN A 50 8.993 -1.079 -5.787 1.00 33.33 H new ATOM 0 HA ASN A 50 8.495 -1.228 -7.951 1.00 42.40 H new ATOM 0 HB2 ASN A 50 10.782 0.206 -7.778 1.00 4.23 H new ATOM 0 HB3 ASN A 50 11.378 -1.113 -8.766 1.00 4.23 H new ATOM 0 HD21 ASN A 50 10.060 1.630 -10.983 1.00 20.12 H new ATOM 0 HD22 ASN A 50 11.264 1.529 -9.694 1.00 20.12 H new ATOM 791 N ALA A 51 9.351 -3.944 -7.502 1.00 10.20 N ATOM 792 CA ALA A 51 9.475 -5.339 -7.906 1.00 14.03 C ATOM 793 C ALA A 51 8.111 -5.940 -8.230 1.00 10.35 C ATOM 794 O ALA A 51 7.155 -5.779 -7.471 1.00 54.23 O ATOM 795 CB ALA A 51 10.163 -6.145 -6.814 1.00 70.23 C ATOM 0 H ALA A 51 8.974 -3.808 -6.564 1.00 10.20 H new ATOM 0 HA ALA A 51 10.084 -5.378 -8.809 1.00 14.03 H new ATOM 0 HB1 ALA A 51 10.249 -7.185 -7.129 1.00 70.23 H new ATOM 0 HB2 ALA A 51 11.157 -5.737 -6.633 1.00 70.23 H new ATOM 0 HB3 ALA A 51 9.576 -6.091 -5.897 1.00 70.23 H new ATOM 801 N VAL A 52 8.028 -6.632 -9.361 1.00 62.31 N ATOM 802 CA VAL A 52 6.781 -7.258 -9.785 1.00 42.42 C ATOM 803 C VAL A 52 6.927 -8.773 -9.868 1.00 14.04 C ATOM 804 O VAL A 52 7.982 -9.286 -10.240 1.00 32.31 O ATOM 805 CB VAL A 52 6.322 -6.722 -11.154 1.00 52.22 C ATOM 806 CG1 VAL A 52 6.371 -5.202 -11.177 1.00 5.32 C ATOM 807 CG2 VAL A 52 7.175 -7.308 -12.269 1.00 10.01 C ATOM 0 H VAL A 52 8.810 -6.774 -10.001 1.00 62.31 H new ATOM 0 HA VAL A 52 6.030 -7.009 -9.035 1.00 42.42 H new ATOM 0 HB VAL A 52 5.289 -7.030 -11.317 1.00 52.22 H new ATOM 0 HG11 VAL A 52 6.043 -4.842 -12.152 1.00 5.32 H new ATOM 0 HG12 VAL A 52 5.713 -4.805 -10.404 1.00 5.32 H new ATOM 0 HG13 VAL A 52 7.392 -4.868 -10.991 1.00 5.32 H new ATOM 0 HG21 VAL A 52 6.837 -6.918 -13.229 1.00 10.01 H new ATOM 0 HG22 VAL A 52 8.218 -7.032 -12.113 1.00 10.01 H new ATOM 0 HG23 VAL A 52 7.083 -8.394 -12.265 1.00 10.01 H new ATOM 817 N ASP A 53 5.860 -9.484 -9.518 1.00 41.23 N ATOM 818 CA ASP A 53 5.868 -10.942 -9.554 1.00 54.31 C ATOM 819 C ASP A 53 4.577 -11.477 -10.166 1.00 14.15 C ATOM 820 O ASP A 53 3.489 -11.267 -9.628 1.00 53.53 O ATOM 821 CB ASP A 53 6.052 -11.507 -8.145 1.00 13.32 C ATOM 822 CG ASP A 53 7.387 -12.203 -7.970 1.00 41.10 C ATOM 823 OD1 ASP A 53 8.416 -11.623 -8.377 1.00 35.31 O ATOM 824 OD2 ASP A 53 7.404 -13.328 -7.427 1.00 52.32 O ATOM 0 H ASP A 53 4.979 -9.074 -9.206 1.00 41.23 H new ATOM 0 HA ASP A 53 6.704 -11.261 -10.177 1.00 54.31 H new ATOM 0 HB2 ASP A 53 5.969 -10.698 -7.419 1.00 13.32 H new ATOM 0 HB3 ASP A 53 5.248 -12.211 -7.931 1.00 13.32 H new ATOM 829 N CYS A 54 4.704 -12.169 -11.293 1.00 22.04 N ATOM 830 CA CYS A 54 3.549 -12.733 -11.979 1.00 74.50 C ATOM 831 C CYS A 54 3.432 -14.230 -11.707 1.00 31.52 C ATOM 832 O CYS A 54 4.421 -14.961 -11.764 1.00 20.31 O ATOM 833 CB CYS A 54 3.652 -12.484 -13.485 1.00 73.40 C ATOM 834 SG CYS A 54 4.197 -10.803 -13.925 1.00 13.31 S ATOM 0 H CYS A 54 5.597 -12.353 -11.751 1.00 22.04 H new ATOM 0 HA CYS A 54 2.655 -12.241 -11.596 1.00 74.50 H new ATOM 0 HB2 CYS A 54 4.348 -13.204 -13.915 1.00 73.40 H new ATOM 0 HB3 CYS A 54 2.679 -12.670 -13.941 1.00 73.40 H new ATOM 839 N ASP A 55 2.217 -14.679 -11.411 1.00 60.32 N ATOM 840 CA ASP A 55 1.970 -16.089 -11.131 1.00 52.04 C ATOM 841 C ASP A 55 2.425 -16.962 -12.297 1.00 32.25 C ATOM 842 O ASP A 55 3.531 -17.504 -12.284 1.00 30.10 O ATOM 843 CB ASP A 55 0.484 -16.323 -10.852 1.00 43.34 C ATOM 844 CG ASP A 55 0.146 -16.201 -9.380 1.00 33.14 C ATOM 845 OD1 ASP A 55 0.877 -15.489 -8.659 1.00 74.22 O ATOM 846 OD2 ASP A 55 -0.851 -16.817 -8.948 1.00 23.14 O ATOM 0 H ASP A 55 1.388 -14.087 -11.359 1.00 60.32 H new ATOM 0 HA ASP A 55 2.545 -16.365 -10.247 1.00 52.04 H new ATOM 0 HB2 ASP A 55 -0.107 -15.603 -11.418 1.00 43.34 H new ATOM 0 HB3 ASP A 55 0.203 -17.315 -11.206 1.00 43.34 H new TER 851 ASP A 55